General Information of the Compound
| Compound ID |
CP0233908
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| Compound Name |
3-(1-(allyloxyimino)ethyl)-N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-5-(N-methylmethylsulfonamido)benzamide
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| Structure |
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| Formula |
C32H38F2N4O6S
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| Molecular Weight |
644.741
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC=C)N(C)S(C)(=O)=O)c1
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| InChI |
InChI=1S/C32H38F2N4O6S/c1-6-10-44-37-21(2)24-15-25(17-28(16-24)38(3)45(5,41)42)32(40)36-30(14-23-11-26(33)18-27(34)12-23)31(39)20-35-19-22-8-7-9-29(13-22)43-4/h6-9,11-13,15-18,30-31,35,39H,1,10,14,19-20H2,2-5H3,(H,36,40)/b37-21-/t30-,31+/m0/s1
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| InChIKey |
CALKIYRQFCXOGT-TZUQGGKVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound